ethane;2-(methoxymethyl)-1-prop-1-en-2-ylpyrrolidine

C13H29NO — CID 143542118

IUPACethane;2-(methoxymethyl)-1-prop-1-en-2-ylpyrrolidine
SMILESC=C(C)N1CCCC1COC.CC.CC
InChIInChI=1S/C9H17NO.2C2H6/c1-8(2)10-6-4-5-9(10)7-11-3;2*1-2/h9H,1,4-7H2,2-3H3;2*1-2H3
InChIKeyDONLYYFDQAMEAB-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.68
Rot. Bonds3

About ethane;2-(methoxymethyl)-1-prop-1-en-2-ylpyrrolidine

ethane;2-(methoxymethyl)-1-prop-1-en-2-ylpyrrolidine (PubChem CID 143542118) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is ethane;2-(methoxymethyl)-1-prop-1-en-2-ylpyrrolidine.

Molecular Properties

Compound Nameethane;2-(methoxymethyl)-1-prop-1-en-2-ylpyrrolidine
PubChem CID143542118
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Nameethane;2-(methoxymethyl)-1-prop-1-en-2-ylpyrrolidine
SMILESC=C(C)N1CCCC1COC.CC.CC
InChIInChI=1S/C9H17NO.2C2H6/c1-8(2)10-6-4-5-9(10)7-11-3;2*1-2/h9H,1,4-7H2,2-3H3;2*1-2H3
InChIKeyDONLYYFDQAMEAB-UHFFFAOYSA-N
XLogP3.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(methoxymethyl)-1-prop-2-enylpyrrolidine
CID 170390869
(2S)-2-(methoxymethyl)-1-[(E)-3-methylbut-1-enyl]pyrrolidine
CID 10888593
(2S)-2-(methoxymethyl)-1-(3-methylbuta-1,3-dien-2-yl)pyrrolidine
CID 11745254
(s)-(2-Methoxymethyl-1-pyrrolidinyl)-acrylonitrile
CID 13925014
(2S)-2-(methoxymethyl)-1-[(E)-pent-2-en-3-yl]pyrrolidine
CID 15372847
4-methyl-6,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 73030485
2-(Methoxymethyl)-1-prop-2-enylpyrrolidine
CID 91368665
1-Ethyl-2-(methoxymethyl)pyrrolidine
CID 12716243
(2S)-1-ethyl-2-(methoxymethyl)pyrrolidine
CID 12716244
2-(Methoxymethyl)-1-propan-2-ylpyrrolidine
CID 18715757
(2S)-2-(methoxymethyl)-1-propylpyrrolidine
CID 56836187
1-Buta-2,3-dienyl-2-(methoxymethyl)pyrrolidine
CID 57206021

Frequently Asked Questions

What is the IUPAC name of ethane;2-(methoxymethyl)-1-prop-1-en-2-ylpyrrolidine?
The IUPAC name of ethane;2-(methoxymethyl)-1-prop-1-en-2-ylpyrrolidine (CID 143542118) is ethane;2-(methoxymethyl)-1-prop-1-en-2-ylpyrrolidine.
What is the SMILES notation for ethane;2-(methoxymethyl)-1-prop-1-en-2-ylpyrrolidine?
The canonical SMILES for ethane;2-(methoxymethyl)-1-prop-1-en-2-ylpyrrolidine is C=C(C)N1CCCC1COC.CC.CC.
What is the InChIKey of ethane;2-(methoxymethyl)-1-prop-1-en-2-ylpyrrolidine?
The InChIKey is DONLYYFDQAMEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.2C2H6/c1-8(2)10-6-4-5-9(10)7-11-3;2*1-2/h9H,1,4-7H2,2-3H3;2*1-2H3.
What are the key properties of ethane;2-(methoxymethyl)-1-prop-1-en-2-ylpyrrolidine?
ethane;2-(methoxymethyl)-1-prop-1-en-2-ylpyrrolidine has a molecular weight of 215.38 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(methoxymethyl)-1-prop-1-en-2-ylpyrrolidine is sourced from PubChem (CID 143542118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).